#------------------------------------------------------------------------------
#$Date: 2021-03-05 03:01:47 +0100 (vie 05 de mar de 2021) $
#$Revision: 262632 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/61/7706165.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7706165
loop_
_publ_author_name
'Malinowski, Przemysław J'
'Zhuravlev, Vadim'
'Jaroń, Tomasz'
'Santiso-Quinones, Gustavo'
'Krossing, Ingo'
_publ_section_title
;
 Extending the chemistry of weakly basic ligands: solvates of
 Ag⁺ and Cu⁺ stabilized by
 [Al{OC(CF₃)₃}₄]⁻ anion as
 model examples in the screening of useful weakly interacting solvents.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2050
_journal_page_last               2056
_journal_paper_doi               10.1039/d0dt03437a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C27 H6 Al2 Cl6 Cu F55 O6'
_chemical_formula_weight         1801.52
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-11-25 deposited with the CCDC.	2020-12-18 downloaded from the CCDC.
;
_cell_angle_alpha                86.0420(10)
_cell_angle_beta                 86.0630(10)
_cell_angle_gamma                83.4930(10)
_cell_formula_units_Z            2
_cell_length_a                   10.30960(10)
_cell_length_b                   10.30940(10)
_cell_length_c                   25.3144(4)
_cell_measurement_reflns_used    41816
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      75.1760
_cell_measurement_theta_min      3.4810
_cell_volume                     2661.82(6)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0688
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            58349
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.551
_diffrn_reflns_theta_min         3.507
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    5.935
_exptl_absorpt_correction_T_max  0.968
_exptl_absorpt_correction_T_min  0.170
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.248
_exptl_crystal_description       block
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.469
_exptl_crystal_size_mid          0.295
_exptl_crystal_size_min          0.155
_refine_diff_density_max         1.135
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1301
_refine_ls_number_reflns         10868
_refine_ls_number_restraints     5588
_refine_ls_restrained_S_all      0.965
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0614
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1083P)²+4.3856P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1677
_refine_ls_wR_factor_ref         0.1691
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10568
_reflns_number_total             10868
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03437a2.cif
_cod_data_source_block           Cu(DCM)3_AlFAl_Tricl_a
_cod_depositor_comments
'Adding full bibliography for 7706158--7706165.cif.'
_cod_database_code               7706165
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.167
_shelx_estimated_absorpt_t_max   0.460
_oxdiff_exptl_absorpt_empirical_full_min 0.509
_oxdiff_exptl_absorpt_empirical_full_max 2.884
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1_8 O 0.3398(13) 0.4339(12) 0.5822(6) 0.025(2) Uani 0.509(6) 1 d D U P A 2
C1_8 C 0.2584(9) 0.3840(9) 0.6209(3) 0.0312(14) Uani 0.509(6) 1 d D U P A 2
C2_8 C 0.3376(10) 0.2884(9) 0.6597(3) 0.049(2) Uani 0.509(6) 1 d D U P A 2
F1_8 F 0.3942(15) 0.1869(12) 0.6353(5) 0.078(4) Uani 0.509(6) 1 d D U P A 2
F2_8 F 0.2614(12) 0.2433(12) 0.6989(4) 0.077(3) Uani 0.509(6) 1 d D U P A 2
F3_8 F 0.4249(16) 0.3475(18) 0.6821(9) 0.102(4) Uani 0.509(6) 1 d D U P A 2
C3_8 C 0.1904(9) 0.4987(8) 0.6526(4) 0.049(2) Uani 0.509(6) 1 d D U P A 2
F4_8 F 0.1103(12) 0.5779(10) 0.6241(3) 0.100(4) Uani 0.509(6) 1 d D U P A 2
F5_8 F 0.1161(8) 0.4599(8) 0.6929(3) 0.0567(19) Uani 0.509(6) 1 d D U P A 2
F6_8 F 0.2766(11) 0.5662(16) 0.6701(6) 0.132(6) Uani 0.509(6) 1 d D U P A 2
C4_8 C 0.1533(10) 0.3158(9) 0.5957(4) 0.037(2) Uani 0.509(6) 1 d D U P A 2
F7_8 F 0.0750(10) 0.4038(9) 0.5714(6) 0.090(4) Uani 0.509(6) 1 d D U P A 2
F8_8 F 0.2044(9) 0.2242(10) 0.5653(5) 0.089(4) Uani 0.509(6) 1 d D U P A 2
F9_8 F 0.0776(15) 0.2601(15) 0.6328(4) 0.105(5) Uani 0.509(6) 1 d D U P A 2
O1_7 O 0.410(3) 0.428(4) 0.9114(12) 0.0270(7) Uani 0.297(8) 1 d D U P B 2
C1_7 C 0.3439(14) 0.3730(13) 0.8758(6) 0.0249(8) Uani 0.297(8) 1 d D U P B 2
C2_7 C 0.2524(11) 0.4789(11) 0.8462(4) 0.030(3) Uani 0.297(8) 1 d D U P B 2
F1_7 F 0.1449(13) 0.5168(15) 0.8755(6) 0.039(3) Uani 0.297(8) 1 d D U P B 2
F2_7 F 0.2129(18) 0.443(2) 0.8013(7) 0.043(4) Uani 0.297(8) 1 d D U P B 2
F3_7 F 0.314(2) 0.5857(16) 0.8362(9) 0.044(4) Uani 0.297(8) 1 d D U P B 2
C3_7 C 0.4423(12) 0.3022(12) 0.8357(4) 0.032(3) Uani 0.297(8) 1 d D U P B 2
F4_7 F 0.5412(19) 0.237(3) 0.8598(12) 0.0455(9) Uani 0.297(8) 1 d D U P B 2
F5_7 F 0.492(2) 0.3876(19) 0.8000(9) 0.055(5) Uani 0.297(8) 1 d D U P B 2
F6_7 F 0.3866(17) 0.2186(14) 0.8090(6) 0.041(3) Uani 0.297(8) 1 d D U P B 2
C4_7 C 0.2596(13) 0.2719(12) 0.9061(5) 0.039(3) Uani 0.297(8) 1 d D U P B 2
F7_7 F 0.3363(15) 0.1668(12) 0.9212(6) 0.047(3) Uani 0.297(8) 1 d D U P B 2
F8_7 F 0.171(2) 0.238(2) 0.8755(11) 0.050(5) Uani 0.297(8) 1 d D U P B 2
F9_7 F 0.197(3) 0.323(3) 0.9482(8) 0.0540(10) Uani 0.297(8) 1 d D U P B 2
O1_6 O 0.4141(15) 0.4240(15) 0.9115(5) 0.0270(7) Uani 0.703(8) 1 d D U P B 1
C1_6 C 0.3479(7) 0.3683(7) 0.8760(3) 0.0249(8) Uani 0.703(8) 1 d D U P B 1
C2_6 C 0.2038(6) 0.3578(7) 0.8983(3) 0.0362(14) Uani 0.703(8) 1 d D U P B 1
F1_6 F 0.2019(15) 0.3229(14) 0.9493(3) 0.0540(10) Uani 0.703(8) 1 d D U P B 1
F2_6 F 0.1443(10) 0.2740(9) 0.8734(5) 0.048(2) Uani 0.703(8) 1 d D U P B 1
F3_6 F 0.1321(7) 0.4730(7) 0.8920(4) 0.057(2) Uani 0.703(8) 1 d D U P B 1
C3_6 C 0.3472(7) 0.4486(7) 0.8223(3) 0.0464(18) Uani 0.703(8) 1 d D U P B 1
F4_6 F 0.4610(9) 0.4267(10) 0.7950(4) 0.066(3) Uani 0.703(8) 1 d D U P B 1
F5_6 F 0.3281(14) 0.5767(8) 0.8294(6) 0.073(4) Uani 0.703(8) 1 d D U P B 1
F6_6 F 0.2523(9) 0.4242(13) 0.7930(3) 0.060(3) Uani 0.703(8) 1 d D U P B 1
C4_6 C 0.4153(6) 0.2287(6) 0.8679(2) 0.0346(14) Uani 0.703(8) 1 d D U P B 1
F7_6 F 0.5436(8) 0.2290(14) 0.8606(5) 0.0455(9) Uani 0.703(8) 1 d D U P B 1
F8_6 F 0.3708(9) 0.1762(8) 0.8265(3) 0.0525(19) Uani 0.703(8) 1 d D U P B 1
F9_6 F 0.3944(7) 0.1492(5) 0.9100(3) 0.0472(15) Uani 0.703(8) 1 d D U P B 1
O1_5 O 0.2826(3) 0.6500(3) 0.95841(12) 0.0252(6) Uani 1 1 d D U . . .
C1_5 C 0.2134(4) 0.7676(4) 0.96749(15) 0.0232(8) Uani 1 1 d D U . . .
C2_5 C 0.0824(4) 0.7405(4) 0.99781(16) 0.0265(8) Uani 1 1 d D U . . .
F1_5 F 0.0326(3) 0.6445(3) 0.97669(12) 0.0362(6) Uani 1 1 d D U . . .
F2_5 F -0.0056(3) 0.8461(3) 0.99575(11) 0.0340(6) Uani 1 1 d D U . . .
F3_5 F 0.1002(3) 0.7052(3) 1.04855(10) 0.0328(6) Uani 1 1 d D U . . .
C3_5 C 0.2897(4) 0.8483(4) 1.00215(18) 0.0290(9) Uani 1 1 d D U . . .
F4_5 F 0.3827(3) 0.9055(3) 0.97290(14) 0.0419(7) Uani 1 1 d D U . . .
F5_5 F 0.3496(3) 0.7710(3) 1.03894(12) 0.0405(7) Uani 1 1 d D U . . .
F6_5 F 0.2120(3) 0.9410(3) 1.02631(13) 0.0409(7) Uani 1 1 d D U . . .
C4_5 C 0.1853(4) 0.8482(5) 0.91446(18) 0.0339(9) Uani 1 1 d D U . . .
F7_5 F 0.2935(3) 0.8430(3) 0.88198(12) 0.0420(7) Uani 1 1 d D U . . .
F8_5 F 0.1438(3) 0.9722(3) 0.92121(13) 0.0449(7) Uani 1 1 d D U . . .
F9_5 F 0.0956(3) 0.7969(4) 0.88943(12) 0.0449(7) Uani 1 1 d D U . . .
O1_4 O 0.5318(3) 0.6678(3) 0.90991(12) 0.0259(6) Uani 1 1 d D U . . .
C1_4 C 0.6504(4) 0.6943(4) 0.88805(15) 0.0239(8) Uani 1 1 d D U . . .
C2_4 C 0.6421(5) 0.7189(5) 0.82728(18) 0.0387(11) Uani 1 1 d D U . . .
F1_4 F 0.6450(4) 0.6066(4) 0.80448(13) 0.0542(9) Uani 1 1 d D U . . .
F2_4 F 0.7431(3) 0.7807(4) 0.80537(13) 0.0538(9) Uani 1 1 d D U . . .
F3_4 F 0.5338(3) 0.7932(4) 0.81530(13) 0.0476(8) Uani 1 1 d D U . . .
C3_4 C 0.6889(4) 0.8184(4) 0.91218(19) 0.0341(9) Uani 1 1 d D U . . .
F4_4 F 0.6628(3) 0.8131(3) 0.96385(12) 0.0412(7) Uani 1 1 d D U . . .
F5_4 F 0.6210(3) 0.9260(3) 0.89174(15) 0.0458(8) Uani 1 1 d D U . . .
F6_4 F 0.8151(3) 0.8309(3) 0.90293(15) 0.0459(8) Uani 1 1 d D U . . .
C4_4 C 0.7555(4) 0.5771(4) 0.90028(18) 0.0299(9) Uani 1 1 d D U . . .
F7_4 F 0.7851(3) 0.5739(3) 0.95085(12) 0.0376(6) Uani 1 1 d D U . . .
F8_4 F 0.8647(3) 0.5812(3) 0.86932(14) 0.0442(7) Uani 1 1 d D U . . .
F9_4 F 0.7070(3) 0.4650(3) 0.89355(14) 0.0396(7) Uani 1 1 d D U . . .
O1_3 O 0.3576(19) 0.717(2) 0.5423(6) 0.0303(19) Uani 0.353(3) 1 d D U P A 1
C1_3 C 0.2492(13) 0.7981(12) 0.5290(4) 0.0404(12) Uani 0.353(3) 1 d D U P A 1
C2_3 C 0.1689(12) 0.7318(11) 0.4915(5) 0.047(3) Uani 0.353(3) 1 d D U P A 1
F1_3 F 0.2415(10) 0.6803(12) 0.4505(5) 0.062(3) Uani 0.353(3) 1 d D U P A 1
F2_3 F 0.0766(18) 0.8189(18) 0.4699(7) 0.061(5) Uani 0.353(3) 1 d D U P A 1
F3_3 F 0.1053(15) 0.6429(11) 0.5188(7) 0.061(4) Uani 0.353(3) 1 d D U P A 1
C3_3 C 0.1797(15) 0.8374(14) 0.5826(5) 0.077(4) Uani 0.353(3) 1 d D U P A 1
F4_3 F 0.242(2) 0.9266(16) 0.6021(7) 0.083(3) Uani 0.353(3) 1 d D U P A 1
F5_3 F 0.179(2) 0.7376(17) 0.6199(7) 0.121(8) Uani 0.353(3) 1 d D U P A 1
F6_3 F 0.0557(13) 0.8728(18) 0.5774(6) 0.088(5) Uani 0.353(3) 1 d D U P A 1
C4_3 C 0.2825(11) 0.9245(11) 0.4972(4) 0.0404(12) Uani 0.353(3) 1 d D U P A 1
F7_3 F 0.3976(11) 0.9593(10) 0.5126(5) 0.059(3) Uani 0.353(3) 1 d D U P A 1
F8_3 F 0.1786(16) 1.0160(18) 0.4981(8) 0.055(5) Uani 0.353(3) 1 d D U P A 1
F9_3 F 0.3077(14) 0.9124(17) 0.4461(5) 0.062(3) Uani 0.353(3) 1 d D U P A 1
O1_2 O 0.5534(4) 0.5665(4) 0.59945(15) 0.0396(8) Uani 1 1 d D U . . .
C1_2 C 0.6388(4) 0.6314(4) 0.62253(17) 0.0299(9) Uani 1 1 d D U . . .
C2_2 C 0.7322(6) 0.6945(5) 0.5799(2) 0.0462(12) Uani 1 1 d D U . . .
F1_2 F 0.8172(6) 0.6038(5) 0.5592(2) 0.0920(18) Uani 1 1 d D U . . .
F2_2 F 0.7968(4) 0.7819(5) 0.59806(18) 0.0684(12) Uani 1 1 d D U . . .
F3_2 F 0.6640(6) 0.7515(6) 0.54015(18) 0.096(2) Uani 1 1 d D U . . .
C3_2 C 0.5674(6) 0.7402(6) 0.6557(3) 0.0558(15) Uani 1 1 d D U . . .
F4_2 F 0.4678(6) 0.6950(6) 0.6845(3) 0.115(3) Uani 1 1 d D U . . .
F5_2 F 0.5250(5) 0.8436(4) 0.6248(3) 0.0863(16) Uani 1 1 d D U . . .
F6_2 F 0.6420(5) 0.7840(5) 0.68944(17) 0.0721(12) Uani 1 1 d D U . . .
C4_2 C 0.7201(5) 0.5310(5) 0.6594(2) 0.0450(12) Uani 1 1 d D U . . .
F7_2 F 0.6476(5) 0.4961(6) 0.70201(15) 0.0766(14) Uani 1 1 d D U . . .
F8_2 F 0.8216(5) 0.5816(5) 0.6769(2) 0.0818(16) Uani 1 1 d D U . . .
F9_2 F 0.7645(5) 0.4251(4) 0.6357(2) 0.0707(11) Uani 1 1 d D U . . .
O1_1 O 0.3113(14) 0.4639(12) 0.5835(6) 0.025(2) Uani 0.491(6) 1 d D U P A 1
C1_1 C 0.2932(9) 0.3562(9) 0.6157(3) 0.0312(14) Uani 0.491(6) 1 d D U P A 1
C2_1 C 0.1573(10) 0.3171(10) 0.6046(4) 0.043(3) Uani 0.491(6) 1 d D U P A 1
F1_1 F 0.0655(7) 0.3982(9) 0.6273(4) 0.066(2) Uani 0.491(6) 1 d D U P A 1
F2_1 F 0.1359(11) 0.2002(8) 0.6257(5) 0.061(3) Uani 0.491(6) 1 d D U P A 1
F3_1 F 0.1405(10) 0.3258(12) 0.5539(3) 0.067(3) Uani 0.491(6) 1 d D U P A 1
C3_1 C 0.4004(8) 0.2421(9) 0.6049(4) 0.040(2) Uani 0.491(6) 1 d D U P A 1
F4_1 F 0.5195(7) 0.2789(8) 0.5997(4) 0.060(2) Uani 0.491(6) 1 d D U P A 1
F5_1 F 0.3862(11) 0.1940(10) 0.5588(3) 0.084(3) Uani 0.491(6) 1 d D U P A 1
F6_1 F 0.3986(13) 0.1418(8) 0.6404(4) 0.048(2) Uani 0.491(6) 1 d D U P A 1
C4_1 C 0.2937(10) 0.3850(8) 0.6747(3) 0.041(2) Uani 0.491(6) 1 d D U P A 1
F7_1 F 0.4176(14) 0.3842(19) 0.6886(9) 0.102(4) Uani 0.491(6) 1 d D U P A 1
F8_1 F 0.2418(10) 0.3015(8) 0.7087(3) 0.046(2) Uani 0.491(6) 1 d D U P A 1
F9_1 F 0.2444(14) 0.5028(7) 0.6844(3) 0.076(3) Uani 0.491(6) 1 d D U P A 1
C1 C 0.7116(8) 1.1058(7) 0.6755(3) 0.0626(18) Uani 1 1 d . . . . .
H1A H 0.715471 1.199470 0.664638 0.075 Uiso 1 1 calc R U . . .
H1AB H 0.655910 1.069519 0.651121 0.075 Uiso 1 1 calc R U . . .
F1 F 0.500000 0.500000 1.000000 0.0242(7) Uani 1 2 d S . P B .
Cl1 Cl 1.20556(19) 0.9764(2) 0.73925(9) 0.0702(5) Uani 1 1 d . . . . .
Al1 Al 0.42904(11) 0.56558(11) 0.94077(4) 0.0186(2) Uani 1 1 d . . . . .
Al2 Al 0.42784(13) 0.56152(13) 0.55964(5) 0.0234(2) Uani 1 1 d . . . . .
Cl2 Cl 0.93527(19) 1.29982(17) 0.75980(7) 0.0586(4) Uani 1 1 d . . . . .
C2 C 1.2057(8) 0.8055(8) 0.7510(3) 0.0657(19) Uani 1 1 d . . . . .
H2A H 1.249908 0.760936 0.720160 0.079 Uiso 1 1 calc R U . . .
H2AB H 1.255279 0.775797 0.782539 0.079 Uiso 1 1 calc R U . . .
F2 F 0.500000 0.500000 0.500000 0.0273(7) Uani 1 2 d S . P A .
Cl5 Cl 0.8712(2) 1.0218(2) 0.67080(9) 0.0723(5) Uani 1 1 d . . . . .
Cl4 Cl 0.64226(18) 1.0910(2) 0.74034(7) 0.0635(4) Uani 1 1 d . . . . .
C3 C 0.8618(6) 1.2552(7) 0.8220(2) 0.0467(13) Uani 1 1 d . . . . .
H3A H 0.765590 1.274714 0.821497 0.056 Uiso 1 1 calc R U . . .
H3AB H 0.892323 1.306277 0.849549 0.056 Uiso 1 1 calc R U . . .
Cl6 Cl 1.04708(19) 0.76309(17) 0.76123(7) 0.0599(4) Uani 1 1 d . . . . .
Cl7 Cl 0.9033(2) 1.08484(18) 0.83750(7) 0.0638(5) Uani 1 1 d . . . . .
Cu2 Cu 0.9720(7) 1.0449(8) 0.7452(3) 0.0467(5) Uani 0.202(5) 1 d . U P C 2
Cu1 Cu 0.94106(18) 0.9981(2) 0.75640(7) 0.0467(5) Uani 0.798(5) 1 d . U P C 1
O1_9 O 0.3429(19) 0.7024(19) 0.5509(7) 0.0303(19) Uani 0.355(3) 1 d D U P A 2
C1_9 C 0.2756(12) 0.7938(11) 0.5184(5) 0.0404(12) Uani 0.355(3) 1 d D U P A 2
C2_9 C 0.2392(15) 0.9159(12) 0.5501(5) 0.070(4) Uani 0.355(3) 1 d D U P A 2
F1_9 F 0.222(2) 0.8894(17) 0.6011(6) 0.083(3) Uani 0.355(3) 1 d D U P A 2
F2_9 F 0.1419(14) 0.9995(12) 0.5338(6) 0.065(4) Uani 0.355(3) 1 d D U P A 2
F3_9 F 0.3484(17) 0.9778(16) 0.5438(9) 0.097(5) Uani 0.355(3) 1 d D U P A 2
C3_9 C 0.3614(13) 0.8226(13) 0.4667(5) 0.072(4) Uani 0.355(3) 1 d D U P A 2
F4_9 F 0.4845(10) 0.8180(14) 0.4746(5) 0.077(3) Uani 0.355(3) 1 d D U P A 2
F5_9 F 0.3276(14) 0.9438(12) 0.4480(7) 0.068(4) Uani 0.355(3) 1 d D U P A 2
F6_9 F 0.3624(18) 0.7314(13) 0.4320(5) 0.092(4) Uani 0.355(3) 1 d D U P A 2
C4_9 C 0.1532(14) 0.7408(17) 0.5003(6) 0.062(4) Uani 0.355(3) 1 d D U P A 2
F7_9 F 0.173(3) 0.6146(17) 0.4935(13) 0.103(8) Uani 0.355(3) 1 d D U P A 2
F8_9 F 0.110(3) 0.809(3) 0.4571(9) 0.084(7) Uani 0.355(3) 1 d D U P A 2
F9_9 F 0.0572(18) 0.753(2) 0.5372(7) 0.106(5) Uani 0.355(3) 1 d D U P A 2
O1_10 O 0.3420(18) 0.7032(19) 0.5324(8) 0.0303(19) Uani 0.291(3) 1 d D U P A 3
C1_10 C 0.2340(14) 0.7915(14) 0.5344(5) 0.0404(12) Uani 0.291(3) 1 d D U P A 3
C2_10 C 0.1639(13) 0.7946(14) 0.5906(5) 0.060(4) Uani 0.291(3) 1 d D U P A 3
F1_10 F 0.0955(12) 0.6913(13) 0.5966(8) 0.097(6) Uani 0.291(3) 1 d D U P A 3
F2_10 F 0.0912(19) 0.9079(16) 0.5971(5) 0.078(6) Uani 0.291(3) 1 d D U P A 3
F3_10 F 0.2581(14) 0.7847(17) 0.6255(4) 0.067(4) Uani 0.291(3) 1 d D U P A 3
C3_10 C 0.2686(13) 0.9304(13) 0.5179(5) 0.0404(12) Uani 0.291(3) 1 d D U P A 3
F4_10 F 0.3573(13) 0.9183(17) 0.4769(6) 0.062(3) Uani 0.291(3) 1 d D U P A 3
F5_10 F 0.326(2) 0.978(3) 0.5576(9) 0.104(8) Uani 0.291(3) 1 d D U P A 3
F6_10 F 0.1602(15) 1.007(2) 0.5048(12) 0.053(6) Uani 0.291(3) 1 d D U P A 3
C4_10 C 0.1391(15) 0.7533(18) 0.4943(6) 0.059(4) Uani 0.291(3) 1 d D U P A 3
F7_10 F 0.182(2) 0.797(3) 0.4461(6) 0.119(9) Uani 0.291(3) 1 d D U P A 3
F8_10 F 0.0156(12) 0.8007(13) 0.5080(8) 0.065(4) Uani 0.291(3) 1 d D U P A 3
F9_10 F 0.141(3) 0.6242(17) 0.4982(14) 0.083(8) Uani 0.291(3) 1 d D U P A 3
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1_8 O1_8 Al2 147.3(12) . . ?
O1_8 C1_8 C2_8 110.3(9) . . ?
O1_8 C1_8 C3_8 108.1(8) . . ?
C2_8 C1_8 C3_8 107.9(7) . . ?
O1_8 C1_8 C4_8 109.8(10) . . ?
C2_8 C1_8 C4_8 111.4(7) . . ?
C3_8 C1_8 C4_8 109.3(7) . . ?
F1_8 C2_8 F2_8 106.9(10) . . ?
F1_8 C2_8 F3_8 110.7(13) . . ?
F2_8 C2_8 F3_8 105.9(12) . . ?
F1_8 C2_8 C1_8 110.6(8) . . ?
F2_8 C2_8 C1_8 111.3(9) . . ?
F3_8 C2_8 C1_8 111.3(11) . . ?
F5_8 C3_8 F6_8 108.4(9) . . ?
F5_8 C3_8 F4_8 103.8(8) . . ?
F6_8 C3_8 F4_8 108.6(11) . . ?
F5_8 C3_8 C1_8 112.8(7) . . ?
F6_8 C3_8 C1_8 110.8(9) . . ?
F4_8 C3_8 C1_8 112.1(8) . . ?
F7_8 C4_8 F8_8 112.9(11) . . ?
F7_8 C4_8 F9_8 104.6(11) . . ?
F8_8 C4_8 F9_8 106.8(10) . . ?
F7_8 C4_8 C1_8 109.0(8) . . ?
F8_8 C4_8 C1_8 112.5(8) . . ?
F9_8 C4_8 C1_8 110.8(9) . . ?
C1_7 O1_7 Al1 146(3) . . ?
O1_7 C1_7 C3_7 109.3(17) . . ?
O1_7 C1_7 C2_7 110.4(17) . . ?
C3_7 C1_7 C2_7 110.0(10) . . ?
O1_7 C1_7 C4_7 108.9(17) . . ?
C3_7 C1_7 C4_7 109.4(10) . . ?
C2_7 C1_7 C4_7 108.9(10) . . ?
F2_7 C2_7 F1_7 106.3(12) . . ?
F2_7 C2_7 F3_7 109.1(13) . . ?
F1_7 C2_7 F3_7 105.3(13) . . ?
F2_7 C2_7 C1_7 114.4(13) . . ?
F1_7 C2_7 C1_7 112.5(10) . . ?
F3_7 C2_7 C1_7 108.9(12) . . ?
F4_7 C3_7 F6_7 108.1(15) . . ?
F4_7 C3_7 F5_7 107.5(14) . . ?
F6_7 C3_7 F5_7 107.2(13) . . ?
F4_7 C3_7 C1_7 111.1(16) . . ?
F6_7 C3_7 C1_7 111.9(11) . . ?
F5_7 C3_7 C1_7 110.9(12) . . ?
F9_7 C4_7 F7_7 109.0(14) . . ?
F9_7 C4_7 F8_7 107.9(16) . . ?
F7_7 C4_7 F8_7 109.4(13) . . ?
F9_7 C4_7 C1_7 110.2(17) . . ?
F7_7 C4_7 C1_7 109.4(10) . . ?
F8_7 C4_7 C1_7 110.9(14) . . ?
C1_6 O1_6 Al1 144.7(12) . . ?
O1_6 C1_6 C3_6 111.1(8) . . ?
O1_6 C1_6 C4_6 108.5(8) . . ?
C3_6 C1_6 C4_6 109.4(6) . . ?
O1_6 C1_6 C2_6 109.9(8) . . ?
C3_6 C1_6 C2_6 109.5(6) . . ?
C4_6 C1_6 C2_6 108.4(5) . . ?
F1_6 C2_6 F2_6 109.4(9) . . ?
F1_6 C2_6 F3_6 108.2(8) . . ?
F2_6 C2_6 F3_6 105.9(7) . . ?
F1_6 C2_6 C1_6 109.9(8) . . ?
F2_6 C2_6 C1_6 113.0(7) . . ?
F3_6 C2_6 C1_6 110.3(6) . . ?
F6_6 C3_6 F4_6 109.2(8) . . ?
F6_6 C3_6 F5_6 106.0(9) . . ?
F4_6 C3_6 F5_6 106.9(9) . . ?
F6_6 C3_6 C1_6 112.7(7) . . ?
F4_6 C3_6 C1_6 110.8(6) . . ?
F5_6 C3_6 C1_6 110.9(7) . . ?
F9_6 C4_6 F7_6 106.6(7) . . ?
F9_6 C4_6 F8_6 107.0(6) . . ?
F7_6 C4_6 F8_6 109.0(8) . . ?
F9_6 C4_6 C1_6 111.3(5) . . ?
F7_6 C4_6 C1_6 110.9(7) . . ?
F8_6 C4_6 C1_6 111.9(6) . . ?
C1_5 O1_5 Al1 147.8(3) . . ?
O1_5 C1_5 C2_5 107.6(3) . . ?
O1_5 C1_5 C4_5 111.0(3) . . ?
C2_5 C1_5 C4_5 109.6(3) . . ?
O1_5 C1_5 C3_5 110.7(3) . . ?
C2_5 C1_5 C3_5 109.0(3) . . ?
C4_5 C1_5 C3_5 108.9(3) . . ?
F1_5 C2_5 F3_5 108.1(3) . . ?
F1_5 C2_5 F2_5 108.0(3) . . ?
F3_5 C2_5 F2_5 108.1(3) . . ?
F1_5 C2_5 C1_5 110.2(3) . . ?
F3_5 C2_5 C1_5 110.9(3) . . ?
F2_5 C2_5 C1_5 111.5(3) . . ?
F5_5 C3_5 F6_5 108.1(4) . . ?
F5_5 C3_5 F4_5 106.6(4) . . ?
F6_5 C3_5 F4_5 108.0(4) . . ?
F5_5 C3_5 C1_5 110.4(3) . . ?
F6_5 C3_5 C1_5 112.4(3) . . ?
F4_5 C3_5 C1_5 111.1(4) . . ?
F8_5 C4_5 F9_5 108.3(4) . . ?
F8_5 C4_5 F7_5 108.4(4) . . ?
F9_5 C4_5 F7_5 106.6(4) . . ?
F8_5 C4_5 C1_5 113.0(4) . . ?
F9_5 C4_5 C1_5 110.4(4) . . ?
F7_5 C4_5 C1_5 110.1(3) . . ?
C1_4 O1_4 Al1 152.3(3) . . ?
O1_4 C1_4 C2_4 109.0(3) . . ?
O1_4 C1_4 C3_4 108.9(3) . . ?
C2_4 C1_4 C3_4 109.9(3) . . ?
O1_4 C1_4 C4_4 110.1(3) . . ?
C2_4 C1_4 C4_4 109.8(3) . . ?
C3_4 C1_4 C4_4 109.1(3) . . ?
F3_4 C2_4 F1_4 108.6(4) . . ?
F3_4 C2_4 F2_4 107.0(4) . . ?
F1_4 C2_4 F2_4 107.7(4) . . ?
F3_4 C2_4 C1_4 111.5(4) . . ?
F1_4 C2_4 C1_4 110.4(4) . . ?
F2_4 C2_4 C1_4 111.5(4) . . ?
F4_4 C3_4 F6_4 108.1(4) . . ?
F4_4 C3_4 F5_4 107.6(4) . . ?
F6_4 C3_4 F5_4 108.1(4) . . ?
F4_4 C3_4 C1_4 110.5(3) . . ?
F6_4 C3_4 C1_4 111.8(4) . . ?
F5_4 C3_4 C1_4 110.6(4) . . ?
F8_4 C4_4 F7_4 109.0(4) . . ?
F8_4 C4_4 F9_4 108.1(4) . . ?
F7_4 C4_4 F9_4 106.9(4) . . ?
F8_4 C4_4 C1_4 113.0(4) . . ?
F7_4 C4_4 C1_4 110.2(3) . . ?
F9_4 C4_4 C1_4 109.5(3) . . ?
C1_3 O1_3 Al2 148.8(19) . . ?
O1_3 C1_3 C2_3 110.5(12) . . ?
O1_3 C1_3 C4_3 112.9(12) . . ?
C2_3 C1_3 C4_3 104.2(8) . . ?
O1_3 C1_3 C3_3 104.9(11) . . ?
C2_3 C1_3 C3_3 116.8(10) . . ?
C4_3 C1_3 C3_3 107.8(9) . . ?
F3_3 C2_3 F1_3 111.2(11) . . ?
F3_3 C2_3 F2_3 106.0(13) . . ?
F1_3 C2_3 F2_3 105.8(12) . . ?
F3_3 C2_3 C1_3 109.5(11) . . ?
F1_3 C2_3 C1_3 113.2(9) . . ?
F2_3 C2_3 C1_3 110.9(11) . . ?
F6_3 C3_3 F4_3 114.3(14) . . ?
F6_3 C3_3 F5_3 103.0(13) . . ?
F4_3 C3_3 F5_3 106.1(14) . . ?
F6_3 C3_3 C1_3 110.7(12) . . ?
F4_3 C3_3 C1_3 109.1(12) . . ?
F5_3 C3_3 C1_3 113.6(12) . . ?
F9_3 C4_3 F8_3 102.1(11) . . ?
F9_3 C4_3 F7_3 102.3(11) . . ?
F8_3 C4_3 F7_3 117.2(12) . . ?
F9_3 C4_3 C1_3 114.7(11) . . ?
F8_3 C4_3 C1_3 110.6(12) . . ?
F7_3 C4_3 C1_3 109.6(9) . . ?
C1_2 O1_2 Al2 152.0(3) . . ?
O1_2 C1_2 C3_2 111.3(4) . . ?
O1_2 C1_2 C2_2 110.7(4) . . ?
C3_2 C1_2 C2_2 108.3(4) . . ?
O1_2 C1_2 C4_2 107.8(4) . . ?
C3_2 C1_2 C4_2 109.2(4) . . ?
C2_2 C1_2 C4_2 109.5(4) . . ?
F2_2 C2_2 F1_2 108.3(5) . . ?
F2_2 C2_2 F3_2 108.2(5) . . ?
F1_2 C2_2 F3_2 106.4(6) . . ?
F2_2 C2_2 C1_2 113.6(4) . . ?
F1_2 C2_2 C1_2 110.3(4) . . ?
F3_2 C2_2 C1_2 109.8(5) . . ?
F6_2 C3_2 F4_2 106.5(6) . . ?
F6_2 C3_2 F5_2 105.9(5) . . ?
F4_2 C3_2 F5_2 110.1(6) . . ?
F6_2 C3_2 C1_2 113.6(5) . . ?
F4_2 C3_2 C1_2 109.6(4) . . ?
F5_2 C3_2 C1_2 110.9(5) . . ?
F9_2 C4_2 F7_2 107.6(5) . . ?
F9_2 C4_2 F8_2 108.2(5) . . ?
F7_2 C4_2 F8_2 106.2(5) . . ?
F9_2 C4_2 C1_2 112.2(4) . . ?
F7_2 C4_2 C1_2 110.5(5) . . ?
F8_2 C4_2 C1_2 111.9(4) . . ?
C1_1 O1_1 Al2 142.3(12) . . ?
O1_1 C1_1 C4_1 111.4(10) . . ?
O1_1 C1_1 C3_1 112.0(8) . . ?
C4_1 C1_1 C3_1 107.8(7) . . ?
O1_1 C1_1 C2_1 106.3(10) . . ?
C4_1 C1_1 C2_1 109.2(7) . . ?
C3_1 C1_1 C2_1 110.2(7) . . ?
F3_1 C2_1 F1_1 107.6(10) . . ?
F3_1 C2_1 F2_1 110.9(10) . . ?
F1_1 C2_1 F2_1 104.8(9) . . ?
F3_1 C2_1 C1_1 110.9(8) . . ?
F1_1 C2_1 C1_1 109.1(8) . . ?
F2_1 C2_1 C1_1 113.2(9) . . ?
F4_1 C3_1 F6_1 109.0(9) . . ?
F4_1 C3_1 F5_1 103.6(9) . . ?
F6_1 C3_1 F5_1 105.5(9) . . ?
F4_1 C3_1 C1_1 113.1(7) . . ?
F6_1 C3_1 C1_1 114.3(8) . . ?
F5_1 C3_1 C1_1 110.5(8) . . ?
F9_1 C4_1 F8_1 109.6(8) . . ?
F9_1 C4_1 F7_1 101.9(11) . . ?
F8_1 C4_1 F7_1 105.1(11) . . ?
F9_1 C4_1 C1_1 113.2(7) . . ?
F8_1 C4_1 C1_1 115.9(7) . . ?
F7_1 C4_1 C1_1 109.9(11) . . ?
Cl4 C1 Cl5 110.9(4) . . ?
Cl4 C1 H1A 109.5 . . ?
Cl5 C1 H1A 109.5 . . ?
Cl4 C1 H1AB 109.5 . . ?
Cl5 C1 H1AB 109.5 . . ?
H1A C1 H1AB 108.1 . . ?
Al1 F1 Al1 180.0 . 2_667 ?
C2 Cl1 Cu2 100.4(3) . . ?
C2 Cl1 Cu1 87.9(3) . . ?
O1_7 Al1 O1_4 117.9(13) . . ?
O1_7 Al1 O1_5 111.9(12) . . ?
O1_4 Al1 O1_5 110.46(16) . . ?
O1_4 Al1 O1_6 117.5(6) . . ?
O1_5 Al1 O1_6 113.3(5) . . ?
O1_7 Al1 F1 101.0(12) . . ?
O1_4 Al1 F1 107.20(12) . . ?
O1_5 Al1 F1 107.35(12) . . ?
O1_6 Al1 F1 99.8(5) . . ?
O1_9 Al2 O1_2 112.5(8) . . ?
O1_2 Al2 O1_1 115.5(6) . . ?
O1_2 Al2 O1_3 110.9(8) . . ?
O1_1 Al2 O1_3 110.7(9) . . ?
O1_9 Al2 O1_8 115.5(9) . . ?
O1_2 Al2 O1_8 109.2(6) . . ?
O1_2 Al2 O1_10 122.2(7) . . ?
O1_9 Al2 F2 113.1(7) . . ?
O1_2 Al2 F2 105.71(16) . . ?
O1_1 Al2 F2 108.0(6) . . ?
O1_3 Al2 F2 105.3(6) . . ?
O1_8 Al2 F2 99.7(5) . . ?
O1_10 Al2 F2 97.9(6) . . ?
C3 Cl2 Cu2 85.9(3) . . ?
Cl6 C2 Cl1 110.9(3) . . ?
Cl6 C2 H2A 109.5 . . ?
Cl1 C2 H2A 109.5 . . ?
Cl6 C2 H2AB 109.5 . . ?
Cl1 C2 H2AB 109.5 . . ?
H2A C2 H2AB 108.0 . . ?
Al2 F2 Al2 180.0 . 2_666 ?
C1 Cl5 Cu2 109.2(3) . . ?
C1 Cl5 Cu1 106.0(3) . . ?
Cl2 C3 Cl7 109.6(3) . . ?
Cl2 C3 H3A 109.7 . . ?
Cl7 C3 H3A 109.7 . . ?
Cl2 C3 H3AB 109.7 . . ?
Cl7 C3 H3AB 109.7 . . ?
H3A C3 H3AB 108.2 . . ?
C2 Cl6 Cu1 94.5(3) . . ?
C3 Cl7 Cu1 104.0(2) . . ?
C3 Cl7 Cu2 92.3(3) . . ?
Cl5 Cu2 Cl1 114.2(3) . . ?
Cl5 Cu2 Cl7 136.0(4) . . ?
Cl1 Cu2 Cl7 108.7(2) . . ?
Cl5 Cu2 Cl2 105.0(3) . . ?
Cl1 Cu2 Cl2 108.6(3) . . ?
Cl7 Cu2 Cl2 68.89(16) . . ?
Cl7 Cu1 Cl5 141.94(9) . . ?
Cl7 Cu1 Cl6 113.42(10) . . ?
Cl5 Cu1 Cl6 101.96(8) . . ?
Cl7 Cu1 Cl1 104.24(9) . . ?
Cl5 Cu1 Cl1 102.30(10) . . ?
Cl6 Cu1 Cl1 66.51(7) . . ?
C1_9 O1_9 Al2 149.7(16) . . ?
O1_9 C1_9 C2_9 106.8(12) . . ?
O1_9 C1_9 C4_9 110.6(12) . . ?
C2_9 C1_9 C4_9 111.5(10) . . ?
O1_9 C1_9 C3_9 109.9(11) . . ?
C2_9 C1_9 C3_9 112.3(9) . . ?
C4_9 C1_9 C3_9 105.8(9) . . ?
F1_9 C2_9 F2_9 109.7(13) . . ?
F1_9 C2_9 F3_9 105.4(13) . . ?
F2_9 C2_9 F3_9 107.1(12) . . ?
F1_9 C2_9 C1_9 113.5(12) . . ?
F2_9 C2_9 C1_9 116.9(11) . . ?
F3_9 C2_9 C1_9 103.1(11) . . ?
F4_9 C3_9 F5_9 105.0(11) . . ?
F4_9 C3_9 F6_9 101.4(12) . . ?
F5_9 C3_9 F6_9 115.2(12) . . ?
F4_9 C3_9 C1_9 113.1(10) . . ?
F5_9 C3_9 C1_9 109.1(11) . . ?
F6_9 C3_9 C1_9 112.7(11) . . ?
F9_9 C4_9 F7_9 104.8(15) . . ?
F9_9 C4_9 F8_9 106.2(14) . . ?
F7_9 C4_9 F8_9 111.9(15) . . ?
F9_9 C4_9 C1_9 110.5(12) . . ?
F7_9 C4_9 C1_9 112.0(15) . . ?
F8_9 C4_9 C1_9 111.1(14) . . ?
C1_10 O1_10 Al2 148.4(17) . . ?
O1_10 C1_10 C3_10 111.2(13) . . ?
O1_10 C1_10 C2_10 112.5(12) . . ?
C3_10 C1_10 C2_10 107.7(9) . . ?
O1_10 C1_10 C4_10 107.6(12) . . ?
C3_10 C1_10 C4_10 108.3(10) . . ?
C2_10 C1_10 C4_10 109.6(10) . . ?
F2_10 C2_10 F1_10 113.5(13) . . ?
F2_10 C2_10 F3_10 107.2(12) . . ?
F1_10 C2_10 F3_10 111.1(13) . . ?
F2_10 C2_10 C1_10 111.3(11) . . ?
F1_10 C2_10 C1_10 106.7(11) . . ?
F3_10 C2_10 C1_10 106.9(10) . . ?
F4_10 C3_10 F6_10 112.0(13) . . ?
F4_10 C3_10 F5_10 107.7(13) . . ?
F6_10 C3_10 F5_10 111.4(15) . . ?
F4_10 C3_10 C1_10 106.2(11) . . ?
F6_10 C3_10 C1_10 109.4(13) . . ?
F5_10 C3_10 C1_10 110.0(14) . . ?
F9_10 C4_10 F7_10 112.0(16) . . ?
F9_10 C4_10 F8_10 105.7(14) . . ?
F7_10 C4_10 F8_10 113.8(15) . . ?
F9_10 C4_10 C1_10 108.0(16) . . ?
F7_10 C4_10 C1_10 107.1(13) . . ?
F8_10 C4_10 C1_10 110.2(12) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1_8 C1_8 1.358(9) . ?
O1_8 Al2 1.726(12) . ?
C1_8 C2_8 1.548(10) . ?
C1_8 C3_8 1.550(10) . ?
C1_8 C4_8 1.551(10) . ?
C2_8 F1_8 1.312(10) . ?
C2_8 F2_8 1.316(9) . ?
C2_8 F3_8 1.321(10) . ?
C3_8 F5_8 1.300(9) . ?
C3_8 F6_8 1.306(9) . ?
C3_8 F4_8 1.311(10) . ?
C4_8 F7_8 1.295(10) . ?
C4_8 F8_8 1.302(9) . ?
C4_8 F9_8 1.323(10) . ?
O1_7 C1_7 1.359(11) . ?
O1_7 Al1 1.68(3) . ?
C1_7 C3_7 1.545(12) . ?
C1_7 C2_7 1.546(12) . ?
C1_7 C4_7 1.560(12) . ?
C2_7 F2_7 1.324(10) . ?
C2_7 F1_7 1.327(11) . ?
C2_7 F3_7 1.331(11) . ?
C3_7 F4_7 1.319(11) . ?
C3_7 F6_7 1.331(10) . ?
C3_7 F5_7 1.332(11) . ?
C4_7 F9_7 1.315(11) . ?
C4_7 F7_7 1.318(11) . ?
C4_7 F8_7 1.329(11) . ?
O1_6 C1_6 1.359(7) . ?
O1_6 Al1 1.709(11) . ?
C1_6 C3_6 1.543(8) . ?
C1_6 C4_6 1.546(8) . ?
C1_6 C2_6 1.565(8) . ?
C2_6 F1_6 1.313(9) . ?
C2_6 F2_6 1.330(7) . ?
C2_6 F3_6 1.332(8) . ?
C3_6 F6_6 1.323(8) . ?
C3_6 F4_6 1.326(9) . ?
C3_6 F5_6 1.335(9) . ?
C4_6 F9_6 1.320(8) . ?
C4_6 F7_6 1.323(9) . ?
C4_6 F8_6 1.343(7) . ?
O1_5 C1_5 1.361(5) . ?
O1_5 Al1 1.703(3) . ?
C1_5 C2_5 1.551(5) . ?
C1_5 C4_5 1.556(5) . ?
C1_5 C3_5 1.557(5) . ?
C2_5 F1_5 1.325(5) . ?
C2_5 F3_5 1.330(5) . ?
C2_5 F2_5 1.336(5) . ?
C3_5 F5_5 1.323(5) . ?
C3_5 F6_5 1.330(5) . ?
C3_5 F4_5 1.336(5) . ?
C4_5 F8_5 1.321(5) . ?
C4_5 F9_5 1.332(5) . ?
C4_5 F7_5 1.338(5) . ?
O1_4 C1_4 1.356(5) . ?
O1_4 Al1 1.694(3) . ?
C1_4 C2_4 1.548(6) . ?
C1_4 C3_4 1.557(5) . ?
C1_4 C4_4 1.558(5) . ?
C2_4 F3_4 1.321(6) . ?
C2_4 F1_4 1.326(6) . ?
C2_4 F2_4 1.349(5) . ?
C3_4 F4_4 1.316(5) . ?
C3_4 F6_4 1.325(5) . ?
C3_4 F5_4 1.335(5) . ?
C4_4 F8_4 1.330(5) . ?
C4_4 F7_4 1.333(5) . ?
C4_4 F9_4 1.336(5) . ?
O1_3 C1_3 1.365(10) . ?
O1_3 Al2 1.724(17) . ?
C1_3 C2_3 1.543(11) . ?
C1_3 C4_3 1.544(11) . ?
C1_3 C3_3 1.548(11) . ?
C2_3 F3_3 1.318(11) . ?
C2_3 F1_3 1.341(11) . ?
C2_3 F2_3 1.350(10) . ?
C3_3 F6_3 1.302(11) . ?
C3_3 F4_3 1.323(11) . ?
C3_3 F5_3 1.347(11) . ?
C4_3 F9_3 1.313(11) . ?
C4_3 F8_3 1.345(10) . ?
C4_3 F7_3 1.367(10) . ?
O1_2 C1_2 1.349(5) . ?
O1_2 Al2 1.702(4) . ?
C1_2 C3_2 1.538(7) . ?
C1_2 C2_2 1.555(6) . ?
C1_2 C4_2 1.555(6) . ?
C2_2 F2_2 1.304(6) . ?
C2_2 F1_2 1.318(7) . ?
C2_2 F3_2 1.331(7) . ?
C3_2 F6_2 1.321(6) . ?
C3_2 F4_2 1.327(7) . ?
C3_2 F5_2 1.330(7) . ?
C4_2 F9_2 1.304(7) . ?
C4_2 F7_2 1.323(6) . ?
C4_2 F8_2 1.336(6) . ?
O1_1 C1_1 1.354(9) . ?
O1_1 Al2 1.706(13) . ?
C1_1 C4_1 1.544(9) . ?
C1_1 C3_1 1.545(10) . ?
C1_1 C2_1 1.550(11) . ?
C2_1 F3_1 1.301(10) . ?
C2_1 F1_1 1.318(10) . ?
C2_1 F2_1 1.320(10) . ?
C3_1 F4_1 1.321(9) . ?
C3_1 F6_1 1.323(9) . ?
C3_1 F5_1 1.323(9) . ?
C4_1 F9_1 1.295(9) . ?
C4_1 F8_1 1.306(8) . ?
C4_1 F7_1 1.346(10) . ?
C1 Cl4 1.748(9) . ?
C1 Cl5 1.771(9) . ?
C1 H1A 0.9900 . ?
C1 H1AB 0.9900 . ?
F1 Al1 1.7716(11) . ?
F1 Al1 1.7716(11) 2_667 ?
Cl1 C2 1.767(9) . ?
Cl1 Cu2 2.428(7) . ?
Cl1 Cu1 2.718(3) . ?
Al2 O1_9 1.618(15) . ?
Al2 O1_10 1.745(17) . ?
Al2 F2 1.7623(12) . ?
Cl2 C3 1.756(6) . ?
Cl2 Cu2 2.660(8) . ?
C2 Cl6 1.738(9) . ?
C2 H2A 0.9900 . ?
C2 H2AB 0.9900 . ?
Cl5 Cu2 2.253(6) . ?
Cl5 Cu1 2.319(2) . ?
C3 Cl7 1.783(7) . ?
C3 H3A 0.9900 . ?
C3 H3AB 0.9900 . ?
Cl6 Cu1 2.541(2) . ?
Cl7 Cu1 2.287(2) . ?
Cl7 Cu2 2.443(7) . ?
O1_9 C1_9 1.368(10) . ?
C1_9 C2_9 1.538(11) . ?
C1_9 C4_9 1.539(12) . ?
C1_9 C3_9 1.558(11) . ?
C2_9 F1_9 1.304(11) . ?
C2_9 F2_9 1.316(10) . ?
C2_9 F3_9 1.351(11) . ?
C3_9 F4_9 1.293(11) . ?
C3_9 F5_9 1.322(11) . ?
C3_9 F6_9 1.329(11) . ?
C4_9 F9_9 1.315(11) . ?
C4_9 F7_9 1.316(11) . ?
C4_9 F8_9 1.337(11) . ?
O1_10 C1_10 1.356(11) . ?
C1_10 C3_10 1.538(12) . ?
C1_10 C2_10 1.553(12) . ?
C1_10 C4_10 1.557(12) . ?
C2_10 F2_10 1.328(11) . ?
C2_10 F1_10 1.338(11) . ?
C2_10 F3_10 1.348(11) . ?
C3_10 F4_10 1.338(11) . ?
C3_10 F6_10 1.339(11) . ?
C3_10 F5_10 1.347(11) . ?
C4_10 F9_10 1.326(11) . ?
C4_10 F7_10 1.335(11) . ?
C4_10 F8_10 1.342(11) . ?
